Pumilaisoflavone A

Base Information

• Chemical Name: Pumilaisoflavone A
• CAS No.: 115712-89-5
• Molecular Formula: C27H28 O7
• DSSTox Substance ID: DTXSID701105771
• Metabolomics Workbench ID: 22409
• Wikidata: Q105146230

Synonyms:Pumilaisoflavone A;CHEBI:185881;DTXSID701105771;LMPK12050272;115712-89-5;7-[3,5-dimethoxy-4-(2-methylbut-3-en-2-yloxy)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one;7-[4-[(1,1-Dimethyl-2-propenyl)oxy]-3,5-dimethoxyphenyl]-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

Chemical Property of Pumilaisoflavone A

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 464.18350323
• Heavy Atom Count: 34
• Complexity: 830

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Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=C(C(=C4)OC)OC(C)(C)C=C)OC)C

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